4-N-methyl-4-N-(quinolin-2-ylmethyl)cyclohexane-1,4-diamine

C17H23N3 — CID 79112911

IUPAC4-N-methyl-4-N-(quinolin-2-ylmethyl)cyclohexane-1,4-diamine
SMILESCN(Cc1ccc2ccccc2n1)C1CCC(N)CC1
InChIInChI=1S/C17H23N3/c1-20(16-10-7-14(18)8-11-16)12-15-9-6-13-4-2-3-5-17(13)19-15/h2-6,9,14,16H,7-8,10-12,18H2,1H3
InChIKeyQBZCCYLINMOOFA-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.94
Rot. Bonds3

About 4-N-methyl-4-N-(quinolin-2-ylmethyl)cyclohexane-1,4-diamine

4-N-methyl-4-N-(quinolin-2-ylmethyl)cyclohexane-1,4-diamine (PubChem CID 79112911) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-N-methyl-4-N-(quinolin-2-ylmethyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(quinolin-2-ylmethyl)cyclohexane-1,4-diamine
PubChem CID79112911
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-N-methyl-4-N-(quinolin-2-ylmethyl)cyclohexane-1,4-diamine
SMILESCN(Cc1ccc2ccccc2n1)C1CCC(N)CC1
InChIInChI=1S/C17H23N3/c1-20(16-10-7-14(18)8-11-16)12-15-9-6-13-4-2-3-5-17(13)19-15/h2-6,9,14,16H,7-8,10-12,18H2,1H3
InChIKeyQBZCCYLINMOOFA-UHFFFAOYSA-N
XLogP2.94
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(quinolin-2-ylmethyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(quinolin-2-ylmethyl)cyclohexane-1,4-diamine (CID 79112911) is 4-N-methyl-4-N-(quinolin-2-ylmethyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(quinolin-2-ylmethyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(quinolin-2-ylmethyl)cyclohexane-1,4-diamine is CN(Cc1ccc2ccccc2n1)C1CCC(N)CC1.
What is the InChIKey of 4-N-methyl-4-N-(quinolin-2-ylmethyl)cyclohexane-1,4-diamine?
The InChIKey is QBZCCYLINMOOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-20(16-10-7-14(18)8-11-16)12-15-9-6-13-4-2-3-5-17(13)19-15/h2-6,9,14,16H,7-8,10-12,18H2,1H3.
What are the key properties of 4-N-methyl-4-N-(quinolin-2-ylmethyl)cyclohexane-1,4-diamine?
4-N-methyl-4-N-(quinolin-2-ylmethyl)cyclohexane-1,4-diamine has a molecular weight of 269.39 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(quinolin-2-ylmethyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79112911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).